-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
# -----------------------------------------------------------
$ PAL_Flags
   description: The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
# -----------------------------------------------------------
$ SCF_Energy
   description: The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:    -1171.2091838626
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1465     6.0000    -0.1465     3.8781     3.8781    -0.0000
  1   0     6.1502     6.0000    -0.1502     3.9100     3.9100     0.0000
  2   0     6.1273     6.0000    -0.1273     3.9318     3.9318     0.0000
  3   0     6.1448     6.0000    -0.1448     3.8653     3.8653     0.0000
  4   0     6.2192     6.0000    -0.2192     3.8705     3.8705     0.0000
  5   0     0.9257     1.0000     0.0743     0.9742     0.9742    -0.0000
  6   0     0.9122     1.0000     0.0878     0.9732     0.9732    -0.0000
  7   0     0.9133     1.0000     0.0867     0.9746     0.9746     0.0000
  8   0     0.9272     1.0000     0.0728     0.9770     0.9770     0.0000
  9   0     0.9190     1.0000     0.0810     0.9804     0.9804     0.0000
 10   0     0.9144     1.0000     0.0856     0.9762     0.9762     0.0000
 11   0     0.9232     1.0000     0.0768     0.9855     0.9855     0.0000
 12   0     0.9221     1.0000     0.0779     0.9793     0.9793     0.0000
 13   0     0.9209     1.0000     0.0791     0.9691     0.9691     0.0000
 14   0     0.9284     1.0000     0.0716     0.9788     0.9788    -0.0000
 15   0     6.1624     6.0000    -0.1624     3.8908     3.8908    -0.0000
 16   0     6.1939     6.0000    -0.1939     3.9043     3.9043    -0.0000
 17   0     6.1049     6.0000    -0.1049     3.8860     3.8860     0.0000
 18   0     6.1450     6.0000    -0.1450     3.8813     3.8813     0.0000
 19   0     6.1832     6.0000    -0.1832     3.8791     3.8791    -0.0000
 20   0     0.9161     1.0000     0.0839     0.9730     0.9730     0.0000
 21   0     0.9087     1.0000     0.0913     0.9796     0.9796     0.0000
 22   0     0.9194     1.0000     0.0806     0.9731     0.9731     0.0000
 23   0     0.9134     1.0000     0.0866     0.9778     0.9778    -0.0000
 24   0     0.9247     1.0000     0.0753     0.9786     0.9786    -0.0000
 25   0     0.9132     1.0000     0.0868     0.9780     0.9780    -0.0000
 26   0     0.9127     1.0000     0.0873     0.9761     0.9761    -0.0000
 27   0     0.9641     1.0000     0.0359     0.9847     0.9847     0.0000
 28   0     0.9130     1.0000     0.0870     0.9730     0.9730     0.0000
 29   0     0.9254     1.0000     0.0746     0.9720     0.9720    -0.0000
 30   0     6.1300     6.0000    -0.1300     3.8873     3.8873    -0.0000
 31   0     6.1957     6.0000    -0.1957     3.9001     3.9001     0.0000
 32   0     6.2489     6.0000    -0.2489     3.9216     3.9216    -0.0000
 33   0     6.0060     6.0000    -0.0060     3.8598     3.8598    -0.0000
 34   0     6.2283     6.0000    -0.2283     3.9481     3.9481    -0.0000
 35   0     0.9204     1.0000     0.0796     0.9842     0.9842     0.0000
 36   0     0.9008     1.0000     0.0992     0.9751     0.9751    -0.0000
 37   0     0.9155     1.0000     0.0845     0.9761     0.9761     0.0000
 38   0     0.9205     1.0000     0.0795     0.9713     0.9713     0.0000
 39   0     0.9060     1.0000     0.0940     0.9758     0.9758     0.0000
 40   0     0.9095     1.0000     0.0905     0.9723     0.9723    -0.0000
 41   0     0.9637     1.0000     0.0363     1.0069     1.0069    -0.0000
 42   0     0.9150     1.0000     0.0850     0.9809     0.9809     0.0000
 43   0     0.9073     1.0000     0.0927     0.9709     0.9709    -0.0000
 44   0     0.9354     1.0000     0.0646     0.9886     0.9886    -0.0000
 45   0     6.1460     6.0000    -0.1460     3.9007     3.9007    -0.0000
 46   0     6.1741     6.0000    -0.1741     3.8874     3.8874    -0.0000
 47   0     6.1517     6.0000    -0.1517     3.8747     3.8747     0.0000
 48   0     6.1749     6.0000    -0.1749     3.8560     3.8560    -0.0000
 49   0     6.1482     6.0000    -0.1482     3.9019     3.9019     0.0000
 50   0     0.9136     1.0000     0.0864     0.9753     0.9753     0.0000
 51   0     0.9219     1.0000     0.0781     0.9829     0.9829     0.0000
 52   0     0.9140     1.0000     0.0860     0.9758     0.9758    -0.0000
 53   0     0.9235     1.0000     0.0765     0.9768     0.9768    -0.0000
 54   0     0.9243     1.0000     0.0757     0.9789     0.9789    -0.0000
 55   0     0.9166     1.0000     0.0834     0.9759     0.9759    -0.0000
 56   0     0.9298     1.0000     0.0702     0.9793     0.9793    -0.0000
 57   0     0.9251     1.0000     0.0749     0.9766     0.9766    -0.0000
 58   0     0.9217     1.0000     0.0783     0.9792     0.9792     0.0000
 59   0     0.9139     1.0000     0.0861     0.9870     0.9870     0.0000
 60   0     6.1716     6.0000    -0.1716     3.8847     3.8847    -0.0000
 61   0     6.1676     6.0000    -0.1676     3.8580     3.8580    -0.0000
 62   0     6.1291     6.0000    -0.1291     3.9009     3.9009     0.0000
 63   0     6.2184     6.0000    -0.2184     3.9224     3.9224     0.0000
 64   0     6.1329     6.0000    -0.1329     3.9000     3.9000    -0.0000
 65   0     0.9318     1.0000     0.0682     0.9756     0.9756    -0.0000
 66   0     0.9089     1.0000     0.0911     0.9842     0.9842    -0.0000
 67   0     0.9318     1.0000     0.0682     0.9782     0.9782     0.0000
 68   0     0.9235     1.0000     0.0765     0.9732     0.9732    -0.0000
 69   0     0.9168     1.0000     0.0832     0.9760     0.9760    -0.0000
 70   0     0.9241     1.0000     0.0759     0.9824     0.9824    -0.0000
 71   0     0.8981     1.0000     0.1019     0.9741     0.9741    -0.0000
 72   0     0.9186     1.0000     0.0814     0.9768     0.9768     0.0000
 73   0     0.9197     1.0000     0.0803     0.9822     0.9822    -0.0000
 74   0     0.9080     1.0000     0.0920     0.9766     0.9766    -0.0000
 75   0     6.1762     6.0000    -0.1762     3.9227     3.9227    -0.0000
 76   0     6.0729     6.0000    -0.0729     3.8681     3.8681    -0.0000
 77   0     6.1638     6.0000    -0.1638     3.8942     3.8942    -0.0000
 78   0     6.1684     6.0000    -0.1684     3.8868     3.8868    -0.0000
 79   0     6.1759     6.0000    -0.1759     3.8848     3.8848    -0.0000
 80   0     0.9185     1.0000     0.0815     0.9781     0.9781    -0.0000
 81   0     0.9131     1.0000     0.0869     0.9732     0.9732     0.0000
 82   0     0.9840     1.0000     0.0160     1.0245     1.0245     0.0000
 83   0     0.9177     1.0000     0.0823     0.9775     0.9775     0.0000
 84   0     0.9361     1.0000     0.0639     0.9706     0.9706    -0.0000
 85   0     0.9072     1.0000     0.0928     0.9719     0.9719    -0.0000
 86   0     0.9230     1.0000     0.0770     0.9746     0.9746     0.0000
 87   0     0.9068     1.0000     0.0932     0.9743     0.9743     0.0000
 88   0     0.9154     1.0000     0.0846     0.9739     0.9739    -0.0000
 89   0     0.9237     1.0000     0.0763     0.9751     0.9751    -0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.959650
                0             6               4            6                0.962082
                0             6               5            1                1.009981
                0             6               6            1                0.994299
                1             6               2            6                0.998197
                1             6               7            1                0.988019
                1             6               8            1                0.998564
                2             6               3            6                0.976977
                2             6               9            1                0.992287
                2             6              10            1                0.990133
                3             6               4            6                0.957597
                3             6              11            1                0.989257
                3             6              12            1                0.998005
                4             6              13            1                0.987988
                4             6              14            1                1.000520
               15             6              16            6                0.975581
               15             6              19            6                0.970263
               15             6              20            1                0.987756
               15             6              21            1                0.987540
               16             6              17            6                0.973072
               16             6              22            1                0.994283
               16             6              23            1                0.985715
               17             6              18            6                0.969200
               17             6              24            1                0.994031
               17             6              25            1                0.984841
               18             6              19            6                0.957597
               18             6              26            1                0.989072
               18             6              27            1                0.999667
               19             6              28            1                0.988963
               19             6              29            1                0.998054
               30             6              31            6                0.963395
               30             6              34            6                0.977741
               30             6              35            1                0.997056
               30             6              36            1                0.979588
               31             6              32            6                0.978711
               31             6              37            1                0.998985
               31             6              38            1                0.996716
               32             6              33            6                0.956832
               32             6              39            1                0.996909
               32             6              40            1                0.988926
               33             6              34            6                0.979614
               33             6              41            1                0.999065
               33             6              42            1                0.994160
               34             6              43            1                0.985475
               34             6              44            1                1.002358
               45             6              46            6                0.965566
               45             6              49            6                0.981952
               45             6              50            1                0.985477
               45             6              51            1                0.996669
               46             6              47            6                0.966753
               46             6              52            1                0.991138
               46             6              53            1                0.994189
               47             6              48            6                0.952173
               47             6              54            1                0.995431
               47             6              55            1                0.993410
               48             6              49            6                0.956260
               48             6              56            1                0.998858
               48             6              57            1                0.997891
               49             6              58            1                0.988949
               49             6              59            1                0.991033
               60             6              61            6                0.958096
               60             6              64            6                0.976051
               60             6              65            1                0.988136
               60             6              66            1                0.989889
               61             6              62            6                0.969944
               61             6              67            1                0.990671
               61             6              68            1                0.988144
               62             6              63            6                0.980516
               62             6              69            1                0.988317
               62             6              70            1                0.994227
               63             6              64            6                0.973962
               63             6              71            1                0.983245
               63             6              72            1                0.993930
               64             6              73            1                0.991373
               64             6              74            1                0.989753
               75             6              76            6                0.971143
               75             6              79            6                0.970069
               75             6              80            1                0.994978
               75             6              81            1                0.992294
               76             6              77            6                0.962814
               76             6              82            1                1.005806
               76             6              83            1                0.982044
               77             6              78            6                0.957424
               77             6              84            1                1.012382
               77             6              85            1                0.980252
               78             6              79            6                0.967013
               78             6              86            1                1.002843
               78             6              87            1                0.987184
               79             6              88            1                0.991317
               79             6              89            1                0.997411
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 2
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1547     6.0000    -0.1547     3.9876     3.6763     0.3113
  1   0     6.1590     6.0000    -0.1590     4.0184     3.6995     0.3189
  2   0     6.1348     6.0000    -0.1348     4.0356     3.7201     0.3155
  3   0     6.1531     6.0000    -0.1531     3.9775     3.6493     0.3282
  4   0     6.2262     6.0000    -0.2262     3.9820     3.6678     0.3142
  5   0     0.9215     1.0000     0.0785     0.9835     0.9328     0.0507
  6   0     0.9082     1.0000     0.0918     0.9823     0.9312     0.0511
  7   0     0.9095     1.0000     0.0905     0.9837     0.9321     0.0516
  8   0     0.9232     1.0000     0.0768     0.9865     0.9320     0.0545
  9   0     0.9151     1.0000     0.0849     0.9896     0.9376     0.0520
 10   0     0.9106     1.0000     0.0894     0.9854     0.9343     0.0511
 11   0     0.9193     1.0000     0.0807     0.9951     0.9408     0.0543
 12   0     0.9181     1.0000     0.0819     0.9888     0.9359     0.0529
 13   0     0.9168     1.0000     0.0832     0.9786     0.9288     0.0498
 14   0     0.9241     1.0000     0.0759     0.9878     0.9380     0.0498
 15   0     6.1700     6.0000    -0.1700     4.0001     3.6730     0.3271
 16   0     6.2022     6.0000    -0.2022     4.0167     3.6893     0.3274
 17   0     6.1125     6.0000    -0.1125     3.9902     3.6810     0.3092
 18   0     6.1525     6.0000    -0.1525     3.9880     3.6677     0.3203
 19   0     6.1912     6.0000    -0.1912     3.9909     3.6692     0.3217
 20   0     0.9123     1.0000     0.0877     0.9825     0.9281     0.0544
 21   0     0.9047     1.0000     0.0953     0.9884     0.9393     0.0491
 22   0     0.9154     1.0000     0.0846     0.9827     0.9300     0.0527
 23   0     0.9096     1.0000     0.0904     0.9872     0.9352     0.0520
 24   0     0.9205     1.0000     0.0795     0.9880     0.9385     0.0495
 25   0     0.9093     1.0000     0.0907     0.9872     0.9373     0.0499
 26   0     0.9087     1.0000     0.0913     0.9851     0.9332     0.0519
 27   0     0.9610     1.0000     0.0390     0.9972     0.9384     0.0588
 28   0     0.9091     1.0000     0.0909     0.9824     0.9317     0.0507
 29   0     0.9215     1.0000     0.0785     0.9818     0.9284     0.0534
 30   0     6.1372     6.0000    -0.1372     3.9957     3.6711     0.3246
 31   0     6.2037     6.0000    -0.2037     4.0153     3.6809     0.3344
 32   0     6.2564     6.0000    -0.2564     4.0364     3.7057     0.3307
 33   0     6.0149     6.0000    -0.0149     3.9629     3.6475     0.3154
 34   0     6.2363     6.0000    -0.2363     4.0618     3.7233     0.3385
 35   0     0.9164     1.0000     0.0836     0.9934     0.9410     0.0524
 36   0     0.8970     1.0000     0.1030     0.9839     0.9305     0.0534
 37   0     0.9115     1.0000     0.0885     0.9855     0.9332     0.0523
 38   0     0.9161     1.0000     0.0839     0.9806     0.9233     0.0573
 39   0     0.9021     1.0000     0.0979     0.9847     0.9340     0.0507
 40   0     0.9056     1.0000     0.0944     0.9814     0.9290     0.0524
 41   0     0.9594     1.0000     0.0406     1.0172     0.9635     0.0537
 42   0     0.9109     1.0000     0.0891     0.9897     0.9407     0.0490
 43   0     0.9036     1.0000     0.0964     0.9802     0.9224     0.0578
 44   0     0.9314     1.0000     0.0686     0.9984     0.9436     0.0548
 45   0     6.1536     6.0000    -0.1536     4.0076     3.6909     0.3167
 46   0     6.1817     6.0000    -0.1817     3.9968     3.6766     0.3202
 47   0     6.1594     6.0000    -0.1594     3.9824     3.6670     0.3154
 48   0     6.1826     6.0000    -0.1826     3.9677     3.6432     0.3245
 49   0     6.1554     6.0000    -0.1554     4.0088     3.6886     0.3202
 50   0     0.9098     1.0000     0.0902     0.9846     0.9316     0.0530
 51   0     0.9181     1.0000     0.0819     0.9924     0.9432     0.0492
 52   0     0.9102     1.0000     0.0898     0.9851     0.9343     0.0508
 53   0     0.9198     1.0000     0.0802     0.9866     0.9330     0.0536
 54   0     0.9207     1.0000     0.0793     0.9888     0.9379     0.0509
 55   0     0.9126     1.0000     0.0874     0.9851     0.9337     0.0514
 56   0     0.9263     1.0000     0.0737     0.9899     0.9357     0.0542
 57   0     0.9211     1.0000     0.0789     0.9863     0.9341     0.0522
 58   0     0.9180     1.0000     0.0820     0.9889     0.9355     0.0534
 59   0     0.9100     1.0000     0.0900     0.9959     0.9488     0.0471
 60   0     6.1794     6.0000    -0.1794     3.9961     3.6699     0.3262
 61   0     6.1759     6.0000    -0.1759     3.9696     3.6461     0.3235
 62   0     6.1370     6.0000    -0.1370     4.0085     3.6877     0.3208
 63   0     6.2257     6.0000    -0.2257     4.0342     3.7017     0.3325
 64   0     6.1407     6.0000    -0.1407     4.0083     3.6877     0.3206
 65   0     0.9277     1.0000     0.0723     0.9857     0.9295     0.0562
 66   0     0.9050     1.0000     0.0950     0.9933     0.9405     0.0528
 67   0     0.9276     1.0000     0.0724     0.9879     0.9353     0.0526
 68   0     0.9192     1.0000     0.0808     0.9826     0.9275     0.0551
 69   0     0.9129     1.0000     0.0871     0.9856     0.9334     0.0522
 70   0     0.9200     1.0000     0.0800     0.9918     0.9416     0.0502
 71   0     0.8944     1.0000     0.1056     0.9829     0.9314     0.0515
 72   0     0.9148     1.0000     0.0852     0.9863     0.9336     0.0527
 73   0     0.9160     1.0000     0.0840     0.9919     0.9415     0.0504
 74   0     0.9041     1.0000     0.0959     0.9857     0.9362     0.0495
 75   0     6.1837     6.0000    -0.1837     4.0296     3.7148     0.3148
 76   0     6.0795     6.0000    -0.0795     3.9693     3.6579     0.3114
 77   0     6.1731     6.0000    -0.1731     4.0054     3.6836     0.3218
 78   0     6.1758     6.0000    -0.1758     3.9949     3.6776     0.3173
 79   0     6.1836     6.0000    -0.1836     3.9947     3.6745     0.3202
 80   0     0.9147     1.0000     0.0853     0.9874     0.9369     0.0505
 81   0     0.9093     1.0000     0.0907     0.9824     0.9318     0.0506
 82   0     0.9810     1.0000     0.0190     1.0370     0.9825     0.0545
 83   0     0.9136     1.0000     0.0864     0.9869     0.9345     0.0524
 84   0     0.9320     1.0000     0.0680     0.9804     0.9273     0.0531
 85   0     0.9032     1.0000     0.0968     0.9807     0.9300     0.0507
 86   0     0.9191     1.0000     0.0809     0.9843     0.9321     0.0522
 87   0     0.9029     1.0000     0.0971     0.9833     0.9328     0.0505
 88   0     0.9116     1.0000     0.0884     0.9834     0.9308     0.0526
 89   0     0.9199     1.0000     0.0801     0.9850     0.9328     0.0522
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.899204
                0             6               4            6                0.904642
                0             6               5            1                0.969204
                0             6               6            1                0.953469
                1             6               2            6                0.936394
                1             6               7            1                0.946982
                1             6               8            1                0.954757
                2             6               3            6                0.912548
                2             6               9            1                0.950872
                2             6              10            1                0.949571
                3             6               4            6                0.894474
                3             6              11            1                0.945889
                3             6              12            1                0.955640
                4             6              13            1                0.948707
                4             6              14            1                0.960695
               15             6              16            6                0.907761
               15             6              19            6                0.906318
               15             6              20            1                0.944209
               15             6              21            1                0.948842
               16             6              17            6                0.912260
               16             6              22            1                0.952288
               16             6              23            1                0.944637
               17             6              18            6                0.906735
               17             6              24            1                0.955092
               17             6              25            1                0.945576
               18             6              19            6                0.896865
               18             6              26            1                0.947633
               18             6              27            1                0.954391
               19             6              28            1                0.949096
               19             6              29            1                0.955463
               30             6              31            6                0.901800
               30             6              34            6                0.911949
               30             6              35            1                0.954842
               30             6              36            1                0.936585
               31             6              32            6                0.913139
               31             6              37            1                0.956925
               31             6              38            1                0.949822
               32             6              33            6                0.892798
               32             6              39            1                0.956264
               32             6              40            1                0.947102
               33             6              34            6                0.915397
               33             6              41            1                0.956825
               33             6              42            1                0.954861
               34             6              43            1                0.938444
               34             6              44            1                0.958472
               45             6              46            6                0.903988
               45             6              49            6                0.917806
               45             6              50            1                0.943373
               45             6              51            1                0.958108
               46             6              47            6                0.903896
               46             6              52            1                0.951031
               46             6              53            1                0.951520
               47             6              48            6                0.891408
               47             6              54            1                0.955701
               47             6              55            1                0.952502
               48             6              49            6                0.890272
               48             6              56            1                0.956532
               48             6              57            1                0.956441
               49             6              58            1                0.946582
               49             6              59            1                0.954351
               60             6              61            6                0.898059
               60             6              64            6                0.912277
               60             6              65            1                0.943401
               60             6              66            1                0.947828
               61             6              62            6                0.907170
               61             6              67            1                0.948925
               61             6              68            1                0.943958
               62             6              63            6                0.913749
               62             6              69            1                0.946911
               62             6              70            1                0.954772
               63             6              64            6                0.907371
               63             6              71            1                0.942214
               63             6              72            1                0.951861
               64             6              73            1                0.952019
               64             6              74            1                0.950748
               75             6              76            6                0.909233
               75             6              79            6                0.908255
               75             6              80            1                0.954951
               75             6              81            1                0.952126
               76             6              77            6                0.900137
               76             6              82            1                0.964802
               76             6              83            1                0.940243
               77             6              78            6                0.895784
               77             6              84            1                0.969689
               77             6              85            1                0.940037
               78             6              79            6                0.904430
               78             6              86            1                0.961068
               78             6              87            1                0.947198
               79             6              88            1                0.949513
               79             6              89            1                0.956179
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 3
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.2043     6.0000    -0.2043     3.9666     3.6594     0.3072
  1   0     6.2099     6.0000    -0.2099     4.0039     3.6892     0.3147
  2   0     6.1898     6.0000    -0.1898     4.0216     3.7100     0.3116
  3   0     6.2048     6.0000    -0.2048     3.9674     3.6435     0.3239
  4   0     6.2824     6.0000    -0.2824     3.9724     3.6626     0.3098
  5   0     0.8924     1.0000     0.1076     0.9744     0.9250     0.0494
  6   0     0.8819     1.0000     0.1181     0.9753     0.9254     0.0499
  7   0     0.8860     1.0000     0.1140     0.9768     0.9262     0.0506
  8   0     0.8977     1.0000     0.1023     0.9778     0.9244     0.0534
  9   0     0.8909     1.0000     0.1091     0.9814     0.9305     0.0509
 10   0     0.8882     1.0000     0.1118     0.9786     0.9284     0.0502
 11   0     0.8934     1.0000     0.1066     0.9876     0.9345     0.0531
 12   0     0.8923     1.0000     0.1077     0.9802     0.9285     0.0517
 13   0     0.8891     1.0000     0.1109     0.9734     0.9249     0.0485
 14   0     0.8943     1.0000     0.1057     0.9772     0.9286     0.0486
 15   0     6.2162     6.0000    -0.2162     3.9767     3.6537     0.3230
 16   0     6.2445     6.0000    -0.2445     3.9933     3.6703     0.3230
 17   0     6.1697     6.0000    -0.1697     3.9718     3.6665     0.3053
 18   0     6.2017     6.0000    -0.2017     3.9684     3.6525     0.3159
 19   0     6.2434     6.0000    -0.2434     3.9735     3.6560     0.3175
 20   0     0.8888     1.0000     0.1112     0.9771     0.9237     0.0534
 21   0     0.8829     1.0000     0.1171     0.9823     0.9342     0.0481
 22   0     0.8913     1.0000     0.1087     0.9757     0.9241     0.0516
 23   0     0.8863     1.0000     0.1137     0.9810     0.9301     0.0509
 24   0     0.8954     1.0000     0.1046     0.9809     0.9324     0.0485
 25   0     0.8852     1.0000     0.1148     0.9820     0.9332     0.0488
 26   0     0.8850     1.0000     0.1150     0.9779     0.9271     0.0508
 27   0     0.9325     1.0000     0.0675     0.9936     0.9362     0.0574
 28   0     0.8845     1.0000     0.1155     0.9752     0.9255     0.0497
 29   0     0.8926     1.0000     0.1074     0.9735     0.9213     0.0522
 30   0     6.1843     6.0000    -0.1843     3.9965     3.6765     0.3200
 31   0     6.2563     6.0000    -0.2563     4.0109     3.6816     0.3293
 32   0     6.2925     6.0000    -0.2925     4.0108     3.6847     0.3261
 33   0     6.0953     6.0000    -0.0953     3.9738     3.6622     0.3116
 34   0     6.2734     6.0000    -0.2734     4.0469     3.7136     0.3333
 35   0     0.8935     1.0000     0.1065     0.9848     0.9335     0.0513
 36   0     0.8775     1.0000     0.1225     0.9767     0.9244     0.0523
 37   0     0.8783     1.0000     0.1217     0.9759     0.9250     0.0509
 38   0     0.8913     1.0000     0.1087     0.9712     0.9151     0.0561
 39   0     0.8755     1.0000     0.1245     0.9759     0.9265     0.0494
 40   0     0.8826     1.0000     0.1174     0.9737     0.9223     0.0514
 41   0     0.9288     1.0000     0.0712     1.0078     0.9554     0.0524
 42   0     0.8862     1.0000     0.1138     0.9819     0.9341     0.0478
 43   0     0.8807     1.0000     0.1193     0.9728     0.9162     0.0566
 44   0     0.9063     1.0000     0.0937     0.9920     0.9385     0.0535
 45   0     6.2056     6.0000    -0.2056     3.9913     3.6786     0.3127
 46   0     6.2294     6.0000    -0.2294     3.9726     3.6565     0.3161
 47   0     6.2130     6.0000    -0.2130     3.9571     3.6456     0.3115
 48   0     6.2338     6.0000    -0.2338     3.9444     3.6239     0.3205
 49   0     6.2078     6.0000    -0.2078     3.9895     3.6731     0.3164
 50   0     0.8865     1.0000     0.1135     0.9777     0.9257     0.0520
 51   0     0.8921     1.0000     0.1079     0.9845     0.9364     0.0481
 52   0     0.8856     1.0000     0.1144     0.9786     0.9289     0.0497
 53   0     0.8938     1.0000     0.1062     0.9775     0.9249     0.0526
 54   0     0.8934     1.0000     0.1066     0.9832     0.9334     0.0498
 55   0     0.8879     1.0000     0.1121     0.9773     0.9270     0.0503
 56   0     0.8950     1.0000     0.1050     0.9826     0.9298     0.0528
 57   0     0.8955     1.0000     0.1045     0.9781     0.9270     0.0511
 58   0     0.8930     1.0000     0.1070     0.9822     0.9299     0.0523
 59   0     0.8858     1.0000     0.1142     0.9887     0.9426     0.0461
 60   0     6.2241     6.0000    -0.2241     3.9792     3.6579     0.3213
 61   0     6.2231     6.0000    -0.2231     3.9530     3.6343     0.3187
 62   0     6.1876     6.0000    -0.1876     3.9878     3.6710     0.3168
 63   0     6.2605     6.0000    -0.2605     4.0188     3.6905     0.3283
 64   0     6.1974     6.0000    -0.1974     4.0052     3.6883     0.3169
 65   0     0.9057     1.0000     0.0943     0.9786     0.9234     0.0552
 66   0     0.8790     1.0000     0.1210     0.9880     0.9365     0.0515
 67   0     0.9020     1.0000     0.0980     0.9804     0.9290     0.0514
 68   0     0.8926     1.0000     0.1074     0.9748     0.9210     0.0538
 69   0     0.8903     1.0000     0.1097     0.9795     0.9283     0.0512
 70   0     0.8976     1.0000     0.1024     0.9846     0.9354     0.0492
 71   0     0.8752     1.0000     0.1248     0.9757     0.9251     0.0506
 72   0     0.8910     1.0000     0.1090     0.9766     0.9248     0.0518
 73   0     0.8917     1.0000     0.1083     0.9827     0.9333     0.0494
 74   0     0.8822     1.0000     0.1178     0.9770     0.9285     0.0485
 75   0     6.2312     6.0000    -0.2312     4.0085     3.6977     0.3108
 76   0     6.1476     6.0000    -0.1476     3.9596     3.6520     0.3076
 77   0     6.2314     6.0000    -0.2314     3.9887     3.6710     0.3177
 78   0     6.2211     6.0000    -0.2211     3.9690     3.6556     0.3134
 79   0     6.2324     6.0000    -0.2324     3.9736     3.6574     0.3162
 80   0     0.8880     1.0000     0.1120     0.9781     0.9286     0.0495
 81   0     0.8858     1.0000     0.1142     0.9762     0.9266     0.0496
 82   0     0.9413     1.0000     0.0587     1.0233     0.9703     0.0530
 83   0     0.8894     1.0000     0.1106     0.9801     0.9288     0.0513
 84   0     0.9019     1.0000     0.0981     0.9763     0.9246     0.0517
 85   0     0.8813     1.0000     0.1187     0.9741     0.9244     0.0497
 86   0     0.8914     1.0000     0.1086     0.9768     0.9258     0.0510
 87   0     0.8809     1.0000     0.1191     0.9772     0.9277     0.0495
 88   0     0.8857     1.0000     0.1143     0.9753     0.9238     0.0515
 89   0     0.8925     1.0000     0.1075     0.9758     0.9248     0.0510
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912920
                0             6               4            6                0.910477
                0             6               5            1                0.955188
                0             6               6            1                0.938309
                1             6               2            6                0.943510
                1             6               7            1                0.933686
                1             6               8            1                0.937487
                2             6               3            6                0.925686
                2             6               9            1                0.936827
                2             6              10            1                0.935824
                3             6               4            6                0.900218
                3             6              11            1                0.932980
                3             6              12            1                0.940996
                4             6              13            1                0.937578
                4             6              14            1                0.949182
               15             6              16            6                0.909608
               15             6              19            6                0.911272
               15             6              20            1                0.931571
               15             6              21            1                0.939466
               16             6              17            6                0.921059
               16             6              22            1                0.940720
               16             6              23            1                0.932886
               17             6              18            6                0.912702
               17             6              24            1                0.944735
               17             6              25            1                0.933831
               18             6              19            6                0.907086
               18             6              26            1                0.932817
               18             6              27            1                0.941516
               19             6              28            1                0.936999
               19             6              29            1                0.942778
               30             6              31            6                0.924685
               30             6              34            6                0.923185
               30             6              35            1                0.939102
               30             6              36            1                0.920724
               31             6              32            6                0.916180
               31             6              37            1                0.941576
               31             6              38            1                0.927182
               32             6              33            6                0.904968
               32             6              39            1                0.941908
               32             6              40            1                0.932774
               33             6              34            6                0.934092
               33             6              41            1                0.941081
               33             6              42            1                0.942719
               34             6              43            1                0.919063
               34             6              44            1                0.941457
               45             6              46            6                0.914370
               45             6              49            6                0.921528
               45             6              50            1                0.930400
               45             6              51            1                0.949139
               46             6              47            6                0.906322
               46             6              52            1                0.940629
               46             6              53            1                0.936949
               47             6              48            6                0.896455
               47             6              54            1                0.945918
               47             6              55            1                0.939149
               48             6              49            6                0.895213
               48             6              56            1                0.944538
               48             6              57            1                0.944136
               49             6              58            1                0.935362
               49             6              59            1                0.946774
               60             6              61            6                0.905863
               60             6              64            6                0.925770
               60             6              65            1                0.925523
               60             6              66            1                0.934743
               61             6              62            6                0.915874
               61             6              67            1                0.934931
               61             6              68            1                0.930238
               62             6              63            6                0.921415
               62             6              69            1                0.935789
               62             6              70            1                0.940979
               63             6              64            6                0.917448
               63             6              71            1                0.930441
               63             6              72            1                0.938020
               64             6              73            1                0.940416
               64             6              74            1                0.937166
               75             6              76            6                0.919358
               75             6              79            6                0.913086
               75             6              80            1                0.942612
               75             6              81            1                0.940179
               76             6              77            6                0.905258
               76             6              82            1                0.956938
               76             6              83            1                0.928094
               77             6              78            6                0.900902
               77             6              84            1                0.960711
               77             6              85            1                0.926003
               78             6              79            6                0.911963
               78             6              86            1                0.947787
               78             6              87            1                0.934655
               79             6              88            1                0.936258
               79             6              89            1                0.943240
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2091838626
        Correlation Energy:       -5.0628312013
        Total MP2 Energy:      -1176.2720150639
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.scfp 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2153264469
        Electronic Contribution:
                  0    
      0      -0.081990
      1      -0.392155
      2      -0.489863
        Nuclear Contribution:
                  0    
      0       0.088367
      1       0.417736
      2       0.570371
        Total Dipole moment:
                  0    
      0       0.006377
      1       0.025581
      2       0.080507
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.pmp2ur 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2183080540
        Electronic Contribution:
                  0    
      0      -0.081775
      1      -0.389630
      2      -0.489481
        Nuclear Contribution:
                  0    
      0       0.088367
      1       0.417736
      2       0.570371
        Total Dipole moment:
                  0    
      0       0.006593
      1       0.028107
      2       0.080890
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 2
       Filename                          : MyMol.pmp2re 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2358407731
        Electronic Contribution:
                  0    
      0      -0.086567
      1      -0.362576
      2      -0.495784
        Nuclear Contribution:
                  0    
      0       0.088367
      1       0.417736
      2       0.570371
        Total Dipole moment:
                  0    
      0       0.001800
      1       0.055160
      2       0.074587
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.790000000000   25.550000000000   17.150000000000
               1 C     19.040000000000   25.200000000000   15.870000000000
               2 C     19.320000000000   23.750000000000   15.600000000000
               3 C     20.560000000000   23.420000000000   16.510000000000
               4 C     20.610000000000   24.460000000000   17.650000000000
               5 H     19.100000000000   25.720000000000   17.930000000000
               6 H     20.320000000000   26.490000000000   17.070000000000
               7 H     19.280000000000   25.800000000000   14.980000000000
               8 H     17.930000000000   25.320000000000   16.050000000000
               9 H     19.590000000000   23.630000000000   14.540000000000
              10 H     18.450000000000   23.150000000000   15.880000000000
              11 H     21.580000000000   23.460000000000   16.040000000000
              12 H     20.420000000000   22.420000000000   16.940000000000
              13 H     21.590000000000   24.770000000000   17.860000000000
              14 H     20.170000000000   24.090000000000   18.540000000000
              15 C     20.790000000000   18.000000000000   22.300000000000
              16 C     19.640000000000   19.070000000000   22.640000000000
              17 C     20.130000000000   20.010000000000   23.720000000000
              18 C     21.530000000000   19.570000000000   24.130000000000
              19 C     21.840000000000   18.270000000000   23.410000000000
              20 H     21.290000000000   18.280000000000   21.320000000000
              21 H     20.480000000000   16.990000000000   22.400000000000
              22 H     18.820000000000   18.460000000000   23.050000000000
              23 H     19.330000000000   19.500000000000   21.680000000000
              24 H     19.490000000000   19.820000000000   24.540000000000
              25 H     20.180000000000   21.030000000000   23.410000000000
              26 H     21.590000000000   19.570000000000   25.230000000000
              27 H     22.260000000000   20.350000000000   23.800000000000
              28 H     21.950000000000   17.430000000000   24.070000000000
              29 H     22.840000000000   18.360000000000   22.970000000000
              30 C     22.300000000000   21.580000000000   20.830000000000
              31 C     23.130000000000   22.110000000000   19.660000000000
              32 C     24.260000000000   23.060000000000   20.200000000000
              33 C     23.600000000000   23.650000000000   21.480000000000
              34 C     22.560000000000   22.630000000000   21.980000000000
              35 H     22.660000000000   20.630000000000   21.220000000000
              36 H     21.230000000000   21.390000000000   20.520000000000
              37 H     22.550000000000   22.560000000000   18.860000000000
              38 H     23.660000000000   21.250000000000   19.090000000000
              39 H     24.470000000000   23.810000000000   19.470000000000
              40 H     25.220000000000   22.520000000000   20.330000000000
              41 H     23.100000000000   24.580000000000   21.200000000000
              42 H     24.400000000000   23.780000000000   22.140000000000
              43 H     21.650000000000   23.270000000000   22.360000000000
              44 H     22.970000000000   22.180000000000   22.900000000000
              45 C     27.400000000000   21.120000000000   24.880000000000
              46 C     27.260000000000   22.630000000000   25.140000000000
              47 C     25.820000000000   22.960000000000   25.590000000000
              48 C     25.120000000000   21.620000000000   25.690000000000
              49 C     26.030000000000   20.420000000000   25.180000000000
              50 H     28.220000000000   20.680000000000   25.510000000000
              51 H     27.610000000000   20.990000000000   23.870000000000
              52 H     27.570000000000   23.220000000000   24.290000000000
              53 H     27.870000000000   22.970000000000   26.000000000000
              54 H     25.330000000000   23.580000000000   24.880000000000
              55 H     25.760000000000   23.450000000000   26.570000000000
              56 H     24.170000000000   21.660000000000   25.160000000000
              57 H     24.850000000000   21.460000000000   26.730000000000
              58 H     25.500000000000   20.080000000000   24.260000000000
              59 H     26.080000000000   19.720000000000   25.920000000000
              60 C     24.550000000000   21.910000000000   16.060000000000
              61 C     25.540000000000   22.830000000000   16.660000000000
              62 C     26.770000000000   22.750000000000   15.760000000000
              63 C     26.790000000000   21.370000000000   14.950000000000
              64 C     25.360000000000   20.770000000000   15.340000000000
              65 H     23.980000000000   22.570000000000   15.320000000000
              66 H     23.870000000000   21.660000000000   16.890000000000
              67 H     25.810000000000   22.550000000000   17.690000000000
              68 H     25.050000000000   23.860000000000   16.640000000000
              69 H     27.630000000000   22.790000000000   16.440000000000
              70 H     26.650000000000   23.570000000000   15.100000000000
              71 H     27.690000000000   20.750000000000   15.140000000000
              72 H     26.800000000000   21.590000000000   13.870000000000
              73 H     25.490000000000   19.980000000000   16.030000000000
              74 H     24.920000000000   20.360000000000   14.460000000000
              75 C     22.840000000000   28.110000000000   19.320000000000
              76 C     21.510000000000   27.430000000000   19.680000000000
              77 C     21.440000000000   27.210000000000   21.200000000000
              78 C     22.700000000000   27.780000000000   21.800000000000
              79 C     23.560000000000   28.350000000000   20.640000000000
              80 H     22.730000000000   29.090000000000   18.910000000000
              81 H     23.500000000000   27.570000000000   18.660000000000
              82 H     21.470000000000   26.470000000000   19.270000000000
              83 H     20.660000000000   28.070000000000   19.360000000000
              84 H     21.480000000000   26.150000000000   21.400000000000
              85 H     20.510000000000   27.510000000000   21.690000000000
              86 H     23.130000000000   26.880000000000   22.200000000000
              87 H     22.480000000000   28.440000000000   22.640000000000
              88 H     24.610000000000   28.020000000000   20.610000000000
              89 H     23.700000000000   29.400000000000   20.850000000000
